Information card for entry 8102991

Structure parameters

• Formula: H Li2 O8 P2 Sc
• Calculated formula: Li2 O8 P2 Sc
• Title of publication: Crystal structure of dilithium scandium (monophosphate-monohydrogenmonophosphate), Li2Sc[(PO4)(HPO4)]
• Authors of publication: Prashanth W. Menezes; Stefan Hoffmann; Yurii Prots; Rüdiger Kniep
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 319
• a: 4.8582 ± 0.0012 Å
• b: 8.1987 ± 0.0012 Å
• c: 7.6683 ± 0.0015 Å
• α: 90°
• β: 104.11 ± 0.0075°
• γ: 90°
• Cell volume: 296.22 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No